2-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]phenyl]benzonitrile Formula: C19H14N2OS MolecularWeight: 318.39226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H14N2OS/c20-13-17-5-1-2-6-18(17)16-10-8-15(9-11-16)14-23-19-7-3-4-12-21(19)22/h1-12H,14H2